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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21F3N4O3S
Molecular Weight 430.445
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RONICICLIB

SMILES

C[C@@H](O)[C@@H](C)OC1=NC(NC2=CC=C(C=C2)[S@](=N)(=O)C3CC3)=NC=C1C(F)(F)F

InChI

InChIKey=UELYDGOOJPRWGF-SRQXXRKNSA-N
InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H21F3N4O3S
Molecular Weight 430.445
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Roniciclib (BAY1000394) is a pan-cyclin-dependent kinase inhibitor that has been developed for treatment in small cell lung carcinoma and solid tumors. Roniciclib targets certain key proteins that are essential for the survival of cancer cells, resulting in decreased tumor growth. Phase I studies to evaluate the safety, tolerability and pharmacokinetics of roniciclib have been completed successfully. In phase II studies, roniciclib was found to be well tolerated and showed promising efficacy when combined with chemotherapy in small cell lung carcinoma patients. However, due to an observed safety signal (treatment-emergent adverse events) in one phase II study, other clinical trials have been discontinued and further development of roniciclib was terminated.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.0 nM [IC50]
9.0 nM [IC50]
11.0 nM [IC50]
5.0 nM [IC50]

PubMed

Patents

Substance Class Chemical
Record UNII
0W9Q8U337A
Record Status Validated (UNII)
Record Version